(3-oxo-1H-2-benzofuran-1-yl) (2S,5S,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (Q27166140)

BRD-A10606614-003-01-1 (English)

9 October 2016

chemical formula

C₂₄H₂₃N₃O₆S

1 reference

BRD-A10606614-003-01-1 (English)

9 October 2016

canonical SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)OC4C5=CC=CC=C5C(=O)O4)C

1 reference

BRD-A10606614-003-01-1 (English)

9 October 2016

isomeric SMILES

CC1([C@@H](N2[C@@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OC4C5=CC=CC=C5C(=O)O4)C

1 reference

BRD-A10606614-003-01-1 (English)

InChI=1S/C24H23N3O6S/c1-24(2)17(22(31)33-23-14-11-7-6-10-13(14)21(30)32-23)27-19(29)16(20(27)34-24)26-18(28)15(25)12-8-4-3-5-9-12/h3-11,15-17,20,23H,25H2,1-2H3,(H,26,28)/t15-,16-,17 ,20 ,23?/m1/s1

9 October 2016

Identifiers

InChI

1 reference

BRD-A10606614-003-01-1 (English)

SOROUYSPFADXSN-NXTKQQBESA-N

9 October 2016

InChIKey

2 references

BRD-A10606614-003-01-1 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-A10606614-003-01-1 (English)

matched by identifier from

9 October 2016

InChIKey

SOROUYSPFADXSN-NXTKQQBESA-N

ChEBI ID

94319

mapping relation type

2 references

(3-oxo-1H-2-benzofuran-1-yl) (2S,5S,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (English)